2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide

C12H22F2N2O — CID 129257459

IUPAC2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O/c1-9(2)15-12(17)7-10-3-5-16(6-4-10)8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyHLWBHRWVCHHOMB-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.88
Rot. Bonds5

About 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide

2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide (PubChem CID 129257459) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
PubChem CID129257459
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1CCN(CC(F)F)CC1
InChIInChI=1S/C12H22F2N2O/c1-9(2)15-12(17)7-10-3-5-16(6-4-10)8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyHLWBHRWVCHHOMB-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
methyl 3-[[2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetyl]amino]propanoate
CID 126834476
2-(4-aminocyclohexyl)-N-propan-2-ylacetamide
CID 62777737
N-propan-2-yl-2-[1-(2,2,4-trimethylpentanoyl)piperidin-4-yl]acetamide
CID 170031556
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
CID 167291149
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
CID 79608129
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
2-(azetidin-3-yl)-N-propan-2-ylacetamide
CID 64616125
3-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 153390625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide (CID 129257459) is 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1CCN(CC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
The InChIKey is HLWBHRWVCHHOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-9(2)15-12(17)7-10-3-5-16(6-4-10)8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide?
2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide has a molecular weight of 248.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 129257459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).